USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 12 HIS : no HE2:sc= -1.74 K(o=-3.6,f=-5.2) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -1.59 K(o=-3.6,f=-5.8!) USER MOD Set 1.3: B 40 CYS SG : rot 160:sc= 0.963 USER MOD Set 1.4: B 43 CYS SG : rot 76:sc= -1.2 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -1.65 K(o=-4.1,f=-5.3) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -1.72 K(o=-4.1,f=-5.8!) USER MOD Set 2.3: A 40 CYS SG : rot 170:sc= 0.799 USER MOD Set 2.4: A 43 CYS SG : rot 77:sc= -1.48 USER MOD Single : A 1 PHE N :NH3+ 168:sc= 0.752 (180deg=0.387) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.283) USER MOD Single : A 9 GLN : amide:sc= -3.3! C(o=-3.3!,f=-3.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -85:sc= 1.08 USER MOD Single : A 18 ASN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 22 MET CE :methyl -160:sc= -0.0851 (180deg=-0.948) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 71:sc= 0.15 USER MOD Single : A 42 LYS NZ :NH3+ -136:sc= -0.0638 (180deg=-0.598) USER MOD Single : A 44 GLN : amide:sc= -0.643 K(o=-0.64,f=-1.9) USER MOD Single : B 1 PHE N :NH3+ 164:sc= 0.863 (180deg=0.412) USER MOD Single : B 7 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.278) USER MOD Single : B 9 GLN : amide:sc= -3.11! C(o=-3.1!,f=-4!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -68:sc= 1.08 USER MOD Single : B 18 ASN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : B 22 MET CE :methyl -159:sc= -0.109 (180deg=-1.1) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 73:sc= 0.0283 USER MOD Single : B 42 LYS NZ :NH3+ -136:sc= -0.09 (180deg=-0.647) USER MOD Single : B 44 GLN :FLIP amide:sc= -0.688 F(o=-1.9,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.532 -3.380 24.321 1.00 0.00 N ATOM 2 CA PHE A 1 94.153 -4.038 25.604 1.00 0.00 C ATOM 3 C PHE A 1 93.865 -2.978 26.670 1.00 0.00 C ATOM 4 O PHE A 1 92.736 -2.579 26.879 1.00 0.00 O ATOM 5 CB PHE A 1 95.305 -4.924 26.081 1.00 0.00 C ATOM 6 CG PHE A 1 95.413 -6.148 25.202 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.019 -6.055 23.941 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.917 -7.380 25.650 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.128 -7.192 23.131 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.026 -8.516 24.837 1.00 0.00 C ATOM 11 CZ PHE A 1 95.632 -8.422 23.579 1.00 0.00 C ATOM 0 H1 PHE A 1 94.920 -4.090 23.668 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.691 -2.940 23.895 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.250 -2.650 24.504 1.00 0.00 H new ATOM 0 HA PHE A 1 93.260 -4.642 25.443 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.240 -4.364 26.056 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.140 -5.223 27.116 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.402 -5.106 23.594 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.451 -7.454 26.621 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.595 -7.120 22.160 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.642 -9.465 25.181 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.717 -9.299 22.954 1.00 0.00 H new ATOM 23 N LEU A 2 94.880 -2.531 27.360 1.00 0.00 N ATOM 24 CA LEU A 2 94.677 -1.507 28.427 1.00 0.00 C ATOM 25 C LEU A 2 94.091 -0.233 27.826 1.00 0.00 C ATOM 26 O LEU A 2 93.230 0.402 28.406 1.00 0.00 O ATOM 27 CB LEU A 2 96.028 -1.174 29.060 1.00 0.00 C ATOM 28 CG LEU A 2 96.605 -2.417 29.753 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.068 -2.156 30.117 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.803 -2.741 31.029 1.00 0.00 C ATOM 0 H LEU A 2 95.846 -2.832 27.230 1.00 0.00 H new ATOM 0 HA LEU A 2 93.991 -1.903 29.176 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.720 -0.820 28.295 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.911 -0.366 29.782 1.00 0.00 H new ATOM 0 HG LEU A 2 96.539 -3.267 29.074 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.483 -3.035 30.609 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.636 -1.945 29.211 1.00 0.00 H new ATOM 0 HD13 LEU A 2 98.128 -1.301 30.790 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.224 -3.624 31.509 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.854 -1.896 31.715 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.763 -2.932 30.766 1.00 0.00 H new ATOM 42 N ASP A 3 94.558 0.152 26.676 1.00 0.00 N ATOM 43 CA ASP A 3 94.039 1.395 26.039 1.00 0.00 C ATOM 44 C ASP A 3 92.557 1.238 25.699 1.00 0.00 C ATOM 45 O ASP A 3 91.771 2.149 25.872 1.00 0.00 O ATOM 46 CB ASP A 3 94.823 1.660 24.753 1.00 0.00 C ATOM 47 CG ASP A 3 96.247 2.105 25.093 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.065 1.252 25.392 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.497 3.299 25.044 1.00 0.00 O ATOM 0 H ASP A 3 95.278 -0.339 26.146 1.00 0.00 H new ATOM 0 HA ASP A 3 94.157 2.228 26.732 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.851 0.758 24.141 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.323 2.429 24.164 1.00 0.00 H new ATOM 54 N GLY A 4 92.165 0.091 25.221 1.00 0.00 N ATOM 55 CA GLY A 4 90.731 -0.117 24.870 1.00 0.00 C ATOM 56 C GLY A 4 89.899 -0.149 26.149 1.00 0.00 C ATOM 57 O GLY A 4 88.765 0.283 26.179 1.00 0.00 O ATOM 0 H GLY A 4 92.774 -0.711 25.058 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.385 0.684 24.217 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.611 -1.051 24.321 1.00 0.00 H new ATOM 61 N ILE A 5 90.464 -0.656 27.206 1.00 0.00 N ATOM 62 CA ILE A 5 89.726 -0.722 28.495 1.00 0.00 C ATOM 63 C ILE A 5 89.514 0.687 29.052 1.00 0.00 C ATOM 64 O ILE A 5 88.477 0.993 29.605 1.00 0.00 O ATOM 65 CB ILE A 5 90.521 -1.583 29.485 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.402 -3.052 29.068 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.976 -1.404 30.903 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.406 -3.890 29.854 1.00 0.00 C ATOM 0 H ILE A 5 91.412 -1.030 27.233 1.00 0.00 H new ATOM 0 HA ILE A 5 88.747 -1.174 28.336 1.00 0.00 H new ATOM 0 HB ILE A 5 91.566 -1.275 29.475 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.390 -3.412 29.252 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.587 -3.153 27.999 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.550 -2.021 31.594 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.060 -0.357 31.196 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.929 -1.706 30.931 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.320 -4.935 29.556 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.416 -3.536 29.648 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.200 -3.799 30.920 1.00 0.00 H new ATOM 80 N ASP A 6 90.486 1.541 28.928 1.00 0.00 N ATOM 81 CA ASP A 6 90.330 2.915 29.481 1.00 0.00 C ATOM 82 C ASP A 6 89.148 3.598 28.813 1.00 0.00 C ATOM 83 O ASP A 6 88.321 4.209 29.461 1.00 0.00 O ATOM 84 CB ASP A 6 91.577 3.732 29.153 1.00 0.00 C ATOM 85 CG ASP A 6 92.767 3.207 29.956 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.570 2.851 31.106 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.856 3.168 29.406 1.00 0.00 O ATOM 0 H ASP A 6 91.378 1.351 28.471 1.00 0.00 H new ATOM 0 HA ASP A 6 90.179 2.850 30.558 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.792 3.672 28.086 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.406 4.783 29.385 1.00 0.00 H new ATOM 92 N LYS A 7 89.071 3.516 27.524 1.00 0.00 N ATOM 93 CA LYS A 7 87.955 4.178 26.811 1.00 0.00 C ATOM 94 C LYS A 7 86.630 3.464 27.124 1.00 0.00 C ATOM 95 O LYS A 7 85.607 4.092 27.311 1.00 0.00 O ATOM 96 CB LYS A 7 88.242 4.117 25.311 1.00 0.00 C ATOM 97 CG LYS A 7 87.241 4.984 24.543 1.00 0.00 C ATOM 98 CD LYS A 7 87.613 6.472 24.650 1.00 0.00 C ATOM 99 CE LYS A 7 86.817 7.264 23.613 1.00 0.00 C ATOM 100 NZ LYS A 7 85.360 7.101 23.877 1.00 0.00 N ATOM 0 H LYS A 7 89.734 3.018 26.930 1.00 0.00 H new ATOM 0 HA LYS A 7 87.868 5.215 27.134 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.257 4.461 25.114 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.182 3.086 24.964 1.00 0.00 H new ATOM 0 HG2 LYS A 7 87.222 4.684 23.495 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.238 4.826 24.938 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.397 6.842 25.652 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.682 6.605 24.485 1.00 0.00 H new ATOM 0 HE2 LYS A 7 87.090 8.318 23.657 1.00 0.00 H new ATOM 0 HE3 LYS A 7 87.057 6.914 22.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 84.826 7.801 23.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.062 6.143 23.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.173 7.245 24.890 1.00 0.00 H new ATOM 114 N ALA A 8 86.644 2.161 27.175 1.00 0.00 N ATOM 115 CA ALA A 8 85.390 1.404 27.464 1.00 0.00 C ATOM 116 C ALA A 8 84.958 1.626 28.911 1.00 0.00 C ATOM 117 O ALA A 8 83.789 1.574 29.234 1.00 0.00 O ATOM 118 CB ALA A 8 85.632 -0.089 27.244 1.00 0.00 C ATOM 0 H ALA A 8 87.472 1.584 27.029 1.00 0.00 H new ATOM 0 HA ALA A 8 84.606 1.759 26.795 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.716 -0.641 27.455 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.929 -0.261 26.209 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.424 -0.431 27.910 1.00 0.00 H new ATOM 124 N GLN A 9 85.892 1.845 29.792 1.00 0.00 N ATOM 125 CA GLN A 9 85.522 2.034 31.218 1.00 0.00 C ATOM 126 C GLN A 9 84.615 3.257 31.375 1.00 0.00 C ATOM 127 O GLN A 9 84.803 4.277 30.741 1.00 0.00 O ATOM 128 CB GLN A 9 86.793 2.220 32.051 1.00 0.00 C ATOM 129 CG GLN A 9 86.433 2.301 33.540 1.00 0.00 C ATOM 130 CD GLN A 9 85.970 3.717 33.889 1.00 0.00 C ATOM 131 OE1 GLN A 9 86.543 4.687 33.430 1.00 0.00 O ATOM 132 NE2 GLN A 9 84.949 3.881 34.684 1.00 0.00 N ATOM 0 H GLN A 9 86.890 1.901 29.587 1.00 0.00 H new ATOM 0 HA GLN A 9 84.982 1.154 31.566 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.477 1.389 31.878 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.311 3.128 31.743 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.645 1.584 33.772 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.297 2.032 34.147 1.00 0.00 H new ATOM 0 HE21 GLN A 9 84.467 3.069 35.070 1.00 0.00 H new ATOM 0 HE22 GLN A 9 84.632 4.821 34.920 1.00 0.00 H new ATOM 141 N GLU A 10 83.625 3.149 32.219 1.00 0.00 N ATOM 142 CA GLU A 10 82.688 4.284 32.442 1.00 0.00 C ATOM 143 C GLU A 10 81.761 3.934 33.610 1.00 0.00 C ATOM 144 O GLU A 10 81.780 2.830 34.116 1.00 0.00 O ATOM 145 CB GLU A 10 81.861 4.552 31.180 1.00 0.00 C ATOM 146 CG GLU A 10 81.028 3.321 30.818 1.00 0.00 C ATOM 147 CD GLU A 10 80.330 3.565 29.477 1.00 0.00 C ATOM 148 OE1 GLU A 10 79.705 4.604 29.337 1.00 0.00 O ATOM 149 OE2 GLU A 10 80.438 2.714 28.612 1.00 0.00 O ATOM 0 H GLU A 10 83.425 2.313 32.769 1.00 0.00 H new ATOM 0 HA GLU A 10 83.257 5.184 32.675 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.206 5.408 31.342 1.00 0.00 H new ATOM 0 HB3 GLU A 10 82.522 4.808 30.352 1.00 0.00 H new ATOM 0 HG2 GLU A 10 81.667 2.440 30.755 1.00 0.00 H new ATOM 0 HG3 GLU A 10 80.290 3.124 31.596 1.00 0.00 H new ATOM 156 N GLU A 11 80.962 4.864 34.051 1.00 0.00 N ATOM 157 CA GLU A 11 80.054 4.581 35.192 1.00 0.00 C ATOM 158 C GLU A 11 79.200 3.355 34.880 1.00 0.00 C ATOM 159 O GLU A 11 79.077 2.944 33.744 1.00 0.00 O ATOM 160 CB GLU A 11 79.145 5.786 35.430 1.00 0.00 C ATOM 161 CG GLU A 11 79.990 6.969 35.901 1.00 0.00 C ATOM 162 CD GLU A 11 80.523 6.689 37.306 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.837 6.014 38.053 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.609 7.153 37.610 1.00 0.00 O ATOM 0 H GLU A 11 80.900 5.808 33.669 1.00 0.00 H new ATOM 0 HA GLU A 11 80.648 4.389 36.085 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.616 6.044 34.513 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.389 5.544 36.177 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.819 7.134 35.213 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.391 7.879 35.903 1.00 0.00 H new ATOM 171 N HIS A 12 78.616 2.760 35.881 1.00 0.00 N ATOM 172 CA HIS A 12 77.781 1.554 35.640 1.00 0.00 C ATOM 173 C HIS A 12 76.559 1.932 34.808 1.00 0.00 C ATOM 174 O HIS A 12 75.444 1.970 35.293 1.00 0.00 O ATOM 175 CB HIS A 12 77.332 0.969 36.974 1.00 0.00 C ATOM 176 CG HIS A 12 76.487 -0.250 36.728 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.033 -1.483 36.395 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.131 -0.443 36.792 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.015 -2.359 36.282 1.00 0.00 C ATOM 180 NE2 HIS A 12 74.839 -1.775 36.514 1.00 0.00 N ATOM 0 H HIS A 12 78.681 3.057 36.855 1.00 0.00 H new ATOM 0 HA HIS A 12 78.368 0.812 35.099 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.200 0.707 37.579 1.00 0.00 H new ATOM 0 HB3 HIS A 12 76.764 1.711 37.536 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.023 -1.688 36.261 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.403 0.320 37.022 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.137 -3.403 36.035 1.00 0.00 H new ATOM 188 N GLU A 13 76.768 2.200 33.551 1.00 0.00 N ATOM 189 CA GLU A 13 75.644 2.567 32.650 1.00 0.00 C ATOM 190 C GLU A 13 74.903 1.294 32.229 1.00 0.00 C ATOM 191 O GLU A 13 75.357 0.193 32.465 1.00 0.00 O ATOM 192 CB GLU A 13 76.208 3.270 31.414 1.00 0.00 C ATOM 193 CG GLU A 13 75.095 4.030 30.684 1.00 0.00 C ATOM 194 CD GLU A 13 75.714 4.878 29.569 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.930 4.894 29.473 1.00 0.00 O ATOM 196 OE2 GLU A 13 74.963 5.497 28.834 1.00 0.00 O ATOM 0 H GLU A 13 77.684 2.180 33.104 1.00 0.00 H new ATOM 0 HA GLU A 13 74.952 3.234 33.164 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.998 3.961 31.708 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.659 2.538 30.744 1.00 0.00 H new ATOM 0 HG2 GLU A 13 74.373 3.329 30.266 1.00 0.00 H new ATOM 0 HG3 GLU A 13 74.553 4.667 31.384 1.00 0.00 H new ATOM 203 N LYS A 14 73.773 1.438 31.603 1.00 0.00 N ATOM 204 CA LYS A 14 73.006 0.243 31.163 1.00 0.00 C ATOM 205 C LYS A 14 73.849 -0.539 30.149 1.00 0.00 C ATOM 206 O LYS A 14 73.720 -1.739 30.017 1.00 0.00 O ATOM 207 CB LYS A 14 71.695 0.683 30.510 1.00 0.00 C ATOM 208 CG LYS A 14 70.766 1.284 31.567 1.00 0.00 C ATOM 209 CD LYS A 14 69.456 1.724 30.903 1.00 0.00 C ATOM 210 CE LYS A 14 68.544 2.375 31.947 1.00 0.00 C ATOM 211 NZ LYS A 14 67.187 2.584 31.369 1.00 0.00 N ATOM 0 H LYS A 14 73.345 2.335 31.376 1.00 0.00 H new ATOM 0 HA LYS A 14 72.780 -0.388 32.023 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.895 1.417 29.729 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.213 -0.169 30.031 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.563 0.551 32.347 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.247 2.136 32.048 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.664 2.428 30.097 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.957 0.865 30.455 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.479 1.742 32.832 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.964 3.329 32.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.571 3.026 32.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.256 3.204 30.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 66.786 1.668 31.085 1.00 0.00 H new ATOM 225 N TYR A 15 74.719 0.132 29.437 1.00 0.00 N ATOM 226 CA TYR A 15 75.570 -0.584 28.442 1.00 0.00 C ATOM 227 C TYR A 15 76.365 -1.683 29.160 1.00 0.00 C ATOM 228 O TYR A 15 76.731 -2.677 28.568 1.00 0.00 O ATOM 229 CB TYR A 15 76.546 0.401 27.772 1.00 0.00 C ATOM 230 CG TYR A 15 75.841 1.169 26.673 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.005 2.243 26.995 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.029 0.807 25.330 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.357 2.954 25.975 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.382 1.516 24.311 1.00 0.00 C ATOM 235 CZ TYR A 15 74.543 2.591 24.634 1.00 0.00 C ATOM 236 OH TYR A 15 73.901 3.295 23.632 1.00 0.00 O ATOM 0 H TYR A 15 74.875 1.138 29.502 1.00 0.00 H new ATOM 0 HA TYR A 15 74.933 -1.026 27.676 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.941 1.094 28.514 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.396 -0.142 27.359 1.00 0.00 H new ATOM 0 HD1 TYR A 15 74.859 2.524 28.027 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.675 -0.022 25.082 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.712 3.784 26.223 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.529 1.235 23.279 1.00 0.00 H new ATOM 0 HH TYR A 15 74.139 2.915 22.761 1.00 0.00 H new ATOM 246 N HIS A 16 76.622 -1.523 30.434 1.00 0.00 N ATOM 247 CA HIS A 16 77.385 -2.579 31.164 1.00 0.00 C ATOM 248 C HIS A 16 76.598 -3.891 31.086 1.00 0.00 C ATOM 249 O HIS A 16 77.164 -4.950 30.899 1.00 0.00 O ATOM 250 CB HIS A 16 77.572 -2.174 32.637 1.00 0.00 C ATOM 251 CG HIS A 16 78.723 -1.205 32.768 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.393 -1.006 33.974 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.345 -0.394 31.854 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.369 -0.107 33.747 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.382 0.294 32.474 1.00 0.00 N ATOM 0 H HIS A 16 76.341 -0.718 30.993 1.00 0.00 H new ATOM 0 HA HIS A 16 78.368 -2.703 30.710 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.657 -1.717 33.015 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.761 -3.059 33.244 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.072 -0.304 30.813 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.056 0.246 34.502 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.020 0.965 32.045 1.00 0.00 H new ATOM 263 N SER A 17 75.299 -3.836 31.209 1.00 0.00 N ATOM 264 CA SER A 17 74.492 -5.088 31.125 1.00 0.00 C ATOM 265 C SER A 17 74.689 -5.718 29.744 1.00 0.00 C ATOM 266 O SER A 17 74.828 -6.917 29.612 1.00 0.00 O ATOM 267 CB SER A 17 73.013 -4.757 31.313 1.00 0.00 C ATOM 268 OG SER A 17 72.568 -3.983 30.209 1.00 0.00 O ATOM 0 H SER A 17 74.763 -2.982 31.363 1.00 0.00 H new ATOM 0 HA SER A 17 74.813 -5.781 31.902 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.429 -5.674 31.390 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.866 -4.207 32.242 1.00 0.00 H new ATOM 0 HG SER A 17 72.762 -3.037 30.373 1.00 0.00 H new ATOM 274 N ASN A 18 74.708 -4.916 28.710 1.00 0.00 N ATOM 275 CA ASN A 18 74.906 -5.467 27.337 1.00 0.00 C ATOM 276 C ASN A 18 76.395 -5.434 26.999 1.00 0.00 C ATOM 277 O ASN A 18 76.875 -4.525 26.354 1.00 0.00 O ATOM 278 CB ASN A 18 74.127 -4.621 26.323 1.00 0.00 C ATOM 279 CG ASN A 18 72.629 -4.711 26.625 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.942 -3.708 26.661 1.00 0.00 O ATOM 281 ND2 ASN A 18 72.090 -5.879 26.843 1.00 0.00 N ATOM 0 H ASN A 18 74.595 -3.903 28.758 1.00 0.00 H new ATOM 0 HA ASN A 18 74.542 -6.494 27.296 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.456 -3.583 26.370 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.326 -4.973 25.311 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.093 -5.951 27.044 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.666 -6.720 26.813 1.00 0.00 H new ATOM 288 N TRP A 19 77.125 -6.425 27.425 1.00 0.00 N ATOM 289 CA TRP A 19 78.583 -6.461 27.134 1.00 0.00 C ATOM 290 C TRP A 19 78.800 -6.729 25.641 1.00 0.00 C ATOM 291 O TRP A 19 79.811 -6.363 25.077 1.00 0.00 O ATOM 292 CB TRP A 19 79.253 -7.555 27.971 1.00 0.00 C ATOM 293 CG TRP A 19 78.775 -8.904 27.543 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.830 -9.633 28.179 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.209 -9.699 26.404 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.660 -10.831 27.504 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.488 -10.916 26.400 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.152 -9.480 25.385 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.696 -11.885 25.417 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.363 -10.449 24.394 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.637 -11.651 24.410 1.00 0.00 C ATOM 0 H TRP A 19 76.772 -7.215 27.965 1.00 0.00 H new ATOM 0 HA TRP A 19 79.029 -5.500 27.392 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.336 -7.494 27.861 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.031 -7.401 29.027 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.295 -9.331 29.067 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.005 -11.560 27.787 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.717 -8.560 25.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.135 -12.808 25.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.088 -10.270 23.614 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.806 -12.394 23.645 1.00 0.00 H new ATOM 312 N ARG A 20 77.858 -7.372 25.001 1.00 0.00 N ATOM 313 CA ARG A 20 78.018 -7.676 23.548 1.00 0.00 C ATOM 314 C ARG A 20 78.143 -6.372 22.756 1.00 0.00 C ATOM 315 O ARG A 20 78.928 -6.273 21.833 1.00 0.00 O ATOM 316 CB ARG A 20 76.784 -8.444 23.052 1.00 0.00 C ATOM 317 CG ARG A 20 76.788 -9.856 23.648 1.00 0.00 C ATOM 318 CD ARG A 20 75.525 -10.606 23.216 1.00 0.00 C ATOM 319 NE ARG A 20 74.323 -9.899 23.746 1.00 0.00 N ATOM 320 CZ ARG A 20 73.136 -10.185 23.284 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.993 -11.098 22.365 1.00 0.00 N ATOM 322 NH2 ARG A 20 72.093 -9.556 23.748 1.00 0.00 N ATOM 0 H ARG A 20 76.987 -7.699 25.420 1.00 0.00 H new ATOM 0 HA ARG A 20 78.916 -8.277 23.404 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.874 -7.918 23.342 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.789 -8.497 21.963 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.674 -10.397 23.317 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.835 -9.801 24.736 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.477 -10.663 22.129 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.552 -11.630 23.588 1.00 0.00 H new ATOM 0 HE ARG A 20 74.429 -9.190 24.472 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.810 -11.591 22.005 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.064 -11.319 22.006 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.206 -8.844 24.469 1.00 0.00 H new ATOM 0 HH22 ARG A 20 71.164 -9.776 23.390 1.00 0.00 H new ATOM 336 N ALA A 21 77.396 -5.368 23.112 1.00 0.00 N ATOM 337 CA ALA A 21 77.487 -4.079 22.370 1.00 0.00 C ATOM 338 C ALA A 21 78.912 -3.529 22.483 1.00 0.00 C ATOM 339 O ALA A 21 79.484 -3.060 21.518 1.00 0.00 O ATOM 340 CB ALA A 21 76.495 -3.075 22.974 1.00 0.00 C ATOM 0 H ALA A 21 76.727 -5.382 23.882 1.00 0.00 H new ATOM 0 HA ALA A 21 77.244 -4.240 21.320 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.559 -2.131 22.434 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.483 -3.471 22.894 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.738 -2.910 24.024 1.00 0.00 H new ATOM 346 N MET A 22 79.496 -3.599 23.647 1.00 0.00 N ATOM 347 CA MET A 22 80.889 -3.091 23.819 1.00 0.00 C ATOM 348 C MET A 22 81.836 -3.863 22.897 1.00 0.00 C ATOM 349 O MET A 22 82.648 -3.287 22.198 1.00 0.00 O ATOM 350 CB MET A 22 81.330 -3.308 25.271 1.00 0.00 C ATOM 351 CG MET A 22 82.654 -2.586 25.527 1.00 0.00 C ATOM 352 SD MET A 22 83.396 -3.201 27.059 1.00 0.00 S ATOM 353 CE MET A 22 82.043 -2.755 28.176 1.00 0.00 C ATOM 0 H MET A 22 79.069 -3.986 24.489 1.00 0.00 H new ATOM 0 HA MET A 22 80.918 -2.030 23.572 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.565 -2.935 25.952 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.442 -4.374 25.471 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.335 -2.747 24.691 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.486 -1.511 25.599 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.415 -2.714 29.200 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.646 -1.780 27.895 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.253 -3.502 28.107 1.00 0.00 H new ATOM 363 N ALA A 23 81.745 -5.162 22.893 1.00 0.00 N ATOM 364 CA ALA A 23 82.645 -5.967 22.025 1.00 0.00 C ATOM 365 C ALA A 23 82.380 -5.621 20.558 1.00 0.00 C ATOM 366 O ALA A 23 83.292 -5.517 19.764 1.00 0.00 O ATOM 367 CB ALA A 23 82.390 -7.459 22.262 1.00 0.00 C ATOM 0 H ALA A 23 81.086 -5.701 23.454 1.00 0.00 H new ATOM 0 HA ALA A 23 83.683 -5.740 22.267 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.051 -8.047 21.625 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.585 -7.700 23.307 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.353 -7.693 22.023 1.00 0.00 H new ATOM 373 N SER A 24 81.139 -5.446 20.195 1.00 0.00 N ATOM 374 CA SER A 24 80.819 -5.109 18.776 1.00 0.00 C ATOM 375 C SER A 24 81.312 -3.695 18.450 1.00 0.00 C ATOM 376 O SER A 24 81.827 -3.440 17.379 1.00 0.00 O ATOM 377 CB SER A 24 79.305 -5.185 18.560 1.00 0.00 C ATOM 378 OG SER A 24 79.024 -5.085 17.170 1.00 0.00 O ATOM 0 H SER A 24 80.334 -5.521 20.817 1.00 0.00 H new ATOM 0 HA SER A 24 81.318 -5.822 18.119 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.916 -6.124 18.955 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.808 -4.381 19.102 1.00 0.00 H new ATOM 0 HG SER A 24 78.056 -5.135 17.028 1.00 0.00 H new ATOM 384 N ASP A 25 81.153 -2.774 19.358 1.00 0.00 N ATOM 385 CA ASP A 25 81.606 -1.377 19.091 1.00 0.00 C ATOM 386 C ASP A 25 83.119 -1.358 18.831 1.00 0.00 C ATOM 387 O ASP A 25 83.600 -0.649 17.967 1.00 0.00 O ATOM 388 CB ASP A 25 81.279 -0.501 20.307 1.00 0.00 C ATOM 389 CG ASP A 25 81.723 0.941 20.049 1.00 0.00 C ATOM 390 OD1 ASP A 25 82.914 1.168 19.941 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.857 1.798 19.972 1.00 0.00 O ATOM 0 H ASP A 25 80.730 -2.926 20.273 1.00 0.00 H new ATOM 0 HA ASP A 25 81.092 -0.990 18.211 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.208 -0.530 20.509 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.781 -0.892 21.192 1.00 0.00 H new ATOM 396 N PHE A 26 83.873 -2.130 19.573 1.00 0.00 N ATOM 397 CA PHE A 26 85.363 -2.160 19.386 1.00 0.00 C ATOM 398 C PHE A 26 85.788 -3.450 18.675 1.00 0.00 C ATOM 399 O PHE A 26 86.958 -3.675 18.428 1.00 0.00 O ATOM 400 CB PHE A 26 86.027 -2.114 20.756 1.00 0.00 C ATOM 401 CG PHE A 26 85.776 -0.764 21.375 1.00 0.00 C ATOM 402 CD1 PHE A 26 86.624 0.305 21.072 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.699 -0.583 22.249 1.00 0.00 C ATOM 404 CE1 PHE A 26 86.394 1.562 21.644 1.00 0.00 C ATOM 405 CE2 PHE A 26 84.467 0.673 22.821 1.00 0.00 C ATOM 406 CZ PHE A 26 85.316 1.746 22.519 1.00 0.00 C ATOM 0 H PHE A 26 83.521 -2.746 20.306 1.00 0.00 H new ATOM 0 HA PHE A 26 85.664 -1.305 18.781 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.628 -2.902 21.395 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.098 -2.292 20.662 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.455 0.162 20.398 1.00 0.00 H new ATOM 0 HD2 PHE A 26 84.047 -1.412 22.482 1.00 0.00 H new ATOM 0 HE1 PHE A 26 87.048 2.389 21.411 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.635 0.815 23.494 1.00 0.00 H new ATOM 0 HZ PHE A 26 85.139 2.715 22.961 1.00 0.00 H new ATOM 416 N ASN A 27 84.854 -4.299 18.353 1.00 0.00 N ATOM 417 CA ASN A 27 85.205 -5.576 17.663 1.00 0.00 C ATOM 418 C ASN A 27 86.271 -6.340 18.459 1.00 0.00 C ATOM 419 O ASN A 27 87.186 -6.902 17.890 1.00 0.00 O ATOM 420 CB ASN A 27 85.735 -5.288 16.253 1.00 0.00 C ATOM 421 CG ASN A 27 84.657 -4.583 15.427 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.529 -5.033 15.369 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.956 -3.487 14.785 1.00 0.00 N ATOM 0 H ASN A 27 83.860 -4.166 18.537 1.00 0.00 H new ATOM 0 HA ASN A 27 84.304 -6.186 17.594 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.627 -4.665 16.310 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.027 -6.219 15.767 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.243 -3.008 14.235 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.902 -3.109 14.834 1.00 0.00 H new ATOM 430 N LEU A 28 86.156 -6.383 19.768 1.00 0.00 N ATOM 431 CA LEU A 28 87.156 -7.133 20.599 1.00 0.00 C ATOM 432 C LEU A 28 86.495 -8.420 21.123 1.00 0.00 C ATOM 433 O LEU A 28 85.367 -8.379 21.575 1.00 0.00 O ATOM 434 CB LEU A 28 87.573 -6.284 21.806 1.00 0.00 C ATOM 435 CG LEU A 28 88.287 -5.009 21.337 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.340 -4.008 22.495 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.720 -5.336 20.876 1.00 0.00 C ATOM 0 H LEU A 28 85.411 -5.930 20.297 1.00 0.00 H new ATOM 0 HA LEU A 28 88.030 -7.363 19.990 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.695 -6.021 22.396 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.232 -6.861 22.455 1.00 0.00 H new ATOM 0 HG LEU A 28 87.738 -4.581 20.499 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.846 -3.100 22.168 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.326 -3.764 22.812 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.886 -4.447 23.330 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.214 -4.422 20.546 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.278 -5.771 21.705 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.683 -6.047 20.050 1.00 0.00 H new ATOM 449 N PRO A 29 87.166 -9.555 21.090 1.00 0.00 N ATOM 450 CA PRO A 29 86.575 -10.823 21.600 1.00 0.00 C ATOM 451 C PRO A 29 85.874 -10.611 22.956 1.00 0.00 C ATOM 452 O PRO A 29 86.352 -9.858 23.781 1.00 0.00 O ATOM 453 CB PRO A 29 87.784 -11.750 21.771 1.00 0.00 C ATOM 454 CG PRO A 29 88.793 -11.270 20.776 1.00 0.00 C ATOM 455 CD PRO A 29 88.532 -9.767 20.569 1.00 0.00 C ATOM 0 HA PRO A 29 85.817 -11.222 20.926 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.178 -11.700 22.786 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.512 -12.789 21.586 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.806 -11.440 21.140 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.697 -11.812 19.835 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.261 -9.160 21.106 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.603 -9.493 19.516 1.00 0.00 H new ATOM 463 N PRO A 30 84.761 -11.266 23.202 1.00 0.00 N ATOM 464 CA PRO A 30 84.035 -11.126 24.497 1.00 0.00 C ATOM 465 C PRO A 30 84.990 -11.107 25.702 1.00 0.00 C ATOM 466 O PRO A 30 84.622 -10.726 26.794 1.00 0.00 O ATOM 467 CB PRO A 30 83.151 -12.378 24.543 1.00 0.00 C ATOM 468 CG PRO A 30 82.877 -12.723 23.109 1.00 0.00 C ATOM 469 CD PRO A 30 84.071 -12.203 22.291 1.00 0.00 C ATOM 0 HA PRO A 30 83.481 -10.189 24.554 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.656 -13.197 25.055 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.225 -12.186 25.085 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.763 -13.800 22.985 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.948 -12.264 22.772 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.728 -13.017 21.986 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.741 -11.702 21.381 1.00 0.00 H new ATOM 477 N VAL A 31 86.204 -11.551 25.512 1.00 0.00 N ATOM 478 CA VAL A 31 87.176 -11.595 26.644 1.00 0.00 C ATOM 479 C VAL A 31 87.402 -10.201 27.221 1.00 0.00 C ATOM 480 O VAL A 31 87.320 -9.995 28.416 1.00 0.00 O ATOM 481 CB VAL A 31 88.510 -12.151 26.121 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.581 -12.127 27.221 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.309 -13.590 25.645 1.00 0.00 C ATOM 0 H VAL A 31 86.566 -11.886 24.619 1.00 0.00 H new ATOM 0 HA VAL A 31 86.776 -12.232 27.433 1.00 0.00 H new ATOM 0 HB VAL A 31 88.845 -11.525 25.294 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.516 -12.525 26.827 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.736 -11.101 27.556 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.252 -12.737 28.062 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.254 -13.986 25.274 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.960 -14.203 26.476 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.569 -13.609 24.845 1.00 0.00 H new ATOM 493 N VAL A 32 87.701 -9.242 26.398 1.00 0.00 N ATOM 494 CA VAL A 32 87.944 -7.878 26.934 1.00 0.00 C ATOM 495 C VAL A 32 86.641 -7.340 27.528 1.00 0.00 C ATOM 496 O VAL A 32 86.620 -6.794 28.612 1.00 0.00 O ATOM 497 CB VAL A 32 88.430 -6.956 25.810 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.451 -5.508 26.306 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.843 -7.370 25.380 1.00 0.00 C ATOM 0 H VAL A 32 87.787 -9.340 25.386 1.00 0.00 H new ATOM 0 HA VAL A 32 88.710 -7.916 27.708 1.00 0.00 H new ATOM 0 HB VAL A 32 87.753 -7.038 24.959 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.797 -4.854 25.505 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.446 -5.212 26.608 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.125 -5.425 27.159 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.187 -6.714 24.581 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.520 -7.292 26.231 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.828 -8.400 25.022 1.00 0.00 H new ATOM 509 N ALA A 33 85.556 -7.494 26.824 1.00 0.00 N ATOM 510 CA ALA A 33 84.253 -6.996 27.349 1.00 0.00 C ATOM 511 C ALA A 33 83.917 -7.702 28.662 1.00 0.00 C ATOM 512 O ALA A 33 83.555 -7.076 29.637 1.00 0.00 O ATOM 513 CB ALA A 33 83.145 -7.259 26.325 1.00 0.00 C ATOM 0 H ALA A 33 85.514 -7.942 25.909 1.00 0.00 H new ATOM 0 HA ALA A 33 84.330 -5.924 27.528 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.195 -6.893 26.715 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.379 -6.742 25.395 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.071 -8.330 26.136 1.00 0.00 H new ATOM 519 N LYS A 34 84.025 -9.004 28.700 1.00 0.00 N ATOM 520 CA LYS A 34 83.702 -9.731 29.955 1.00 0.00 C ATOM 521 C LYS A 34 84.645 -9.306 31.073 1.00 0.00 C ATOM 522 O LYS A 34 84.244 -9.167 32.213 1.00 0.00 O ATOM 523 CB LYS A 34 83.797 -11.242 29.727 1.00 0.00 C ATOM 524 CG LYS A 34 82.596 -11.687 28.899 1.00 0.00 C ATOM 525 CD LYS A 34 82.657 -13.193 28.670 1.00 0.00 C ATOM 526 CE LYS A 34 81.408 -13.635 27.908 1.00 0.00 C ATOM 527 NZ LYS A 34 81.556 -15.058 27.507 1.00 0.00 N ATOM 0 H LYS A 34 84.321 -9.590 27.919 1.00 0.00 H new ATOM 0 HA LYS A 34 82.682 -9.483 30.249 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.725 -11.489 29.211 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.814 -11.768 30.682 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.671 -11.425 29.413 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.588 -11.164 27.943 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.553 -13.451 28.105 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.720 -13.716 29.624 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.524 -13.511 28.533 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.265 -13.010 27.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.708 -15.362 26.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.391 -15.161 26.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 81.673 -15.648 28.356 1.00 0.00 H new ATOM 541 N GLU A 35 85.894 -9.110 30.770 1.00 0.00 N ATOM 542 CA GLU A 35 86.851 -8.717 31.835 1.00 0.00 C ATOM 543 C GLU A 35 86.409 -7.381 32.445 1.00 0.00 C ATOM 544 O GLU A 35 86.475 -7.186 33.643 1.00 0.00 O ATOM 545 CB GLU A 35 88.251 -8.584 31.228 1.00 0.00 C ATOM 546 CG GLU A 35 89.304 -8.473 32.341 1.00 0.00 C ATOM 547 CD GLU A 35 89.353 -7.038 32.866 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.342 -6.133 32.050 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.406 -6.870 34.071 1.00 0.00 O ATOM 0 H GLU A 35 86.292 -9.204 29.836 1.00 0.00 H new ATOM 0 HA GLU A 35 86.871 -9.475 32.618 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.466 -9.448 30.599 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.295 -7.704 30.587 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.062 -9.159 33.153 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.283 -8.764 31.959 1.00 0.00 H new ATOM 556 N ILE A 36 85.953 -6.460 31.639 1.00 0.00 N ATOM 557 CA ILE A 36 85.502 -5.146 32.191 1.00 0.00 C ATOM 558 C ILE A 36 84.282 -5.378 33.086 1.00 0.00 C ATOM 559 O ILE A 36 84.143 -4.792 34.140 1.00 0.00 O ATOM 560 CB ILE A 36 85.138 -4.207 31.037 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.412 -3.838 30.270 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.490 -2.930 31.589 1.00 0.00 C ATOM 563 CD1 ILE A 36 86.034 -3.215 28.926 1.00 0.00 C ATOM 0 H ILE A 36 85.873 -6.558 30.627 1.00 0.00 H new ATOM 0 HA ILE A 36 86.301 -4.691 32.777 1.00 0.00 H new ATOM 0 HB ILE A 36 84.435 -4.707 30.371 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.010 -3.137 30.853 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.025 -4.726 30.112 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.233 -2.266 30.763 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.586 -3.190 32.140 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.190 -2.426 32.256 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.940 -2.952 28.379 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.454 -3.931 28.344 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.439 -2.318 29.095 1.00 0.00 H new ATOM 575 N VAL A 37 83.404 -6.243 32.668 1.00 0.00 N ATOM 576 CA VAL A 37 82.191 -6.546 33.478 1.00 0.00 C ATOM 577 C VAL A 37 82.642 -7.154 34.811 1.00 0.00 C ATOM 578 O VAL A 37 82.093 -6.867 35.856 1.00 0.00 O ATOM 579 CB VAL A 37 81.318 -7.553 32.702 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.047 -7.916 33.497 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.919 -6.950 31.342 1.00 0.00 C ATOM 0 H VAL A 37 83.474 -6.759 31.791 1.00 0.00 H new ATOM 0 HA VAL A 37 81.612 -5.642 33.667 1.00 0.00 H new ATOM 0 HB VAL A 37 81.899 -8.462 32.550 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.451 -8.627 32.925 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.329 -8.363 34.450 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.461 -7.015 33.678 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.302 -7.663 30.795 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.356 -6.031 31.503 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.817 -6.729 30.765 1.00 0.00 H new ATOM 591 N ALA A 38 83.631 -8.002 34.770 1.00 0.00 N ATOM 592 CA ALA A 38 84.129 -8.652 36.016 1.00 0.00 C ATOM 593 C ALA A 38 84.808 -7.616 36.913 1.00 0.00 C ATOM 594 O ALA A 38 84.821 -7.743 38.122 1.00 0.00 O ATOM 595 CB ALA A 38 85.138 -9.743 35.646 1.00 0.00 C ATOM 0 H ALA A 38 84.121 -8.276 33.918 1.00 0.00 H new ATOM 0 HA ALA A 38 83.288 -9.091 36.553 1.00 0.00 H new ATOM 0 HB1 ALA A 38 85.505 -10.222 36.554 1.00 0.00 H new ATOM 0 HB2 ALA A 38 84.654 -10.487 35.014 1.00 0.00 H new ATOM 0 HB3 ALA A 38 85.974 -9.298 35.107 1.00 0.00 H new ATOM 601 N SER A 39 85.384 -6.599 36.336 1.00 0.00 N ATOM 602 CA SER A 39 86.073 -5.568 37.163 1.00 0.00 C ATOM 603 C SER A 39 85.039 -4.694 37.876 1.00 0.00 C ATOM 604 O SER A 39 85.251 -4.251 38.987 1.00 0.00 O ATOM 605 CB SER A 39 86.946 -4.697 36.257 1.00 0.00 C ATOM 606 OG SER A 39 87.829 -5.531 35.518 1.00 0.00 O ATOM 0 H SER A 39 85.408 -6.437 35.329 1.00 0.00 H new ATOM 0 HA SER A 39 86.696 -6.060 37.910 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.321 -4.117 35.578 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.514 -3.985 36.855 1.00 0.00 H new ATOM 0 HG SER A 39 87.320 -6.032 34.847 1.00 0.00 H new ATOM 612 N CYS A 40 83.919 -4.445 37.256 1.00 0.00 N ATOM 613 CA CYS A 40 82.883 -3.606 37.918 1.00 0.00 C ATOM 614 C CYS A 40 82.205 -4.446 39.003 1.00 0.00 C ATOM 615 O CYS A 40 81.574 -5.448 38.729 1.00 0.00 O ATOM 616 CB CYS A 40 81.851 -3.154 36.881 1.00 0.00 C ATOM 617 SG CYS A 40 80.691 -1.986 37.640 1.00 0.00 S ATOM 0 H CYS A 40 83.678 -4.784 36.325 1.00 0.00 H new ATOM 0 HA CYS A 40 83.338 -2.722 38.365 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.353 -2.685 36.035 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.311 -4.017 36.492 1.00 0.00 H new ATOM 0 HG CYS A 40 79.954 -1.444 36.716 1.00 0.00 H new ATOM 622 N ASP A 41 82.341 -4.047 40.237 1.00 0.00 N ATOM 623 CA ASP A 41 81.727 -4.827 41.348 1.00 0.00 C ATOM 624 C ASP A 41 80.214 -4.886 41.168 1.00 0.00 C ATOM 625 O ASP A 41 79.587 -5.898 41.416 1.00 0.00 O ATOM 626 CB ASP A 41 82.031 -4.133 42.674 1.00 0.00 C ATOM 627 CG ASP A 41 83.518 -4.282 42.998 1.00 0.00 C ATOM 628 OD1 ASP A 41 83.993 -5.405 42.998 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.155 -3.270 43.236 1.00 0.00 O ATOM 0 H ASP A 41 82.852 -3.212 40.525 1.00 0.00 H new ATOM 0 HA ASP A 41 82.137 -5.837 41.343 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.765 -3.078 42.614 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.429 -4.569 43.471 1.00 0.00 H new ATOM 634 N LYS A 42 79.625 -3.807 40.753 1.00 0.00 N ATOM 635 CA LYS A 42 78.149 -3.790 40.572 1.00 0.00 C ATOM 636 C LYS A 42 77.737 -4.831 39.525 1.00 0.00 C ATOM 637 O LYS A 42 76.724 -5.490 39.659 1.00 0.00 O ATOM 638 CB LYS A 42 77.690 -2.397 40.123 1.00 0.00 C ATOM 639 CG LYS A 42 77.891 -1.394 41.266 1.00 0.00 C ATOM 640 CD LYS A 42 77.422 -0.002 40.828 1.00 0.00 C ATOM 641 CE LYS A 42 77.630 0.987 41.975 1.00 0.00 C ATOM 642 NZ LYS A 42 76.795 0.583 43.140 1.00 0.00 N ATOM 0 H LYS A 42 80.100 -2.933 40.530 1.00 0.00 H new ATOM 0 HA LYS A 42 77.676 -4.032 41.524 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.256 -2.082 39.246 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.640 -2.426 39.832 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.333 -1.715 42.145 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.943 -1.360 41.551 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.979 0.322 39.949 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.370 -0.033 40.546 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.682 1.013 42.260 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.362 1.994 41.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.330 1.422 43.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.073 -0.098 42.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.398 0.142 43.863 1.00 0.00 H new ATOM 656 N CYS A 43 78.497 -4.973 38.473 1.00 0.00 N ATOM 657 CA CYS A 43 78.126 -5.963 37.417 1.00 0.00 C ATOM 658 C CYS A 43 78.448 -7.383 37.879 1.00 0.00 C ATOM 659 O CYS A 43 77.731 -8.322 37.591 1.00 0.00 O ATOM 660 CB CYS A 43 78.939 -5.713 36.150 1.00 0.00 C ATOM 661 SG CYS A 43 78.658 -4.038 35.538 1.00 0.00 S ATOM 0 H CYS A 43 79.355 -4.450 38.298 1.00 0.00 H new ATOM 0 HA CYS A 43 77.059 -5.852 37.225 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.999 -5.858 36.357 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.662 -6.437 35.384 1.00 0.00 H new ATOM 0 HG CYS A 43 79.323 -3.192 36.267 1.00 0.00 H new ATOM 666 N GLN A 44 79.547 -7.551 38.554 1.00 0.00 N ATOM 667 CA GLN A 44 79.953 -8.912 38.995 1.00 0.00 C ATOM 668 C GLN A 44 79.139 -9.322 40.219 1.00 0.00 C ATOM 669 O GLN A 44 78.288 -10.185 40.147 1.00 0.00 O ATOM 670 CB GLN A 44 81.445 -8.877 39.339 1.00 0.00 C ATOM 671 CG GLN A 44 81.940 -10.274 39.719 1.00 0.00 C ATOM 672 CD GLN A 44 83.426 -10.201 40.072 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.310 -10.069 39.120 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.788 -10.251 41.231 1.00 0.00 N ATOM 0 H GLN A 44 80.185 -6.801 38.821 1.00 0.00 H new ATOM 0 HA GLN A 44 79.771 -9.638 38.203 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.012 -8.503 38.487 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.618 -8.186 40.164 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.371 -10.657 40.566 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.784 -10.966 38.891 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.099 -10.354 41.976 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.780 -10.190 41.458 1.00 0.00 H new ATOM 844 N PHE B 1 93.815 -14.681 21.928 1.00 0.00 N ATOM 845 CA PHE B 1 92.717 -14.395 22.894 1.00 0.00 C ATOM 846 C PHE B 1 92.064 -15.707 23.335 1.00 0.00 C ATOM 847 O PHE B 1 92.436 -16.294 24.333 1.00 0.00 O ATOM 848 CB PHE B 1 91.669 -13.502 22.226 1.00 0.00 C ATOM 849 CG PHE B 1 92.217 -12.101 22.056 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.108 -11.823 21.011 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.831 -11.080 22.939 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.610 -10.525 20.847 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.336 -9.784 22.775 1.00 0.00 C ATOM 854 CZ PHE B 1 93.226 -9.506 21.729 1.00 0.00 C ATOM 0 H1 PHE B 1 94.074 -13.807 21.428 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.643 -15.045 22.441 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.495 -15.392 21.239 1.00 0.00 H new ATOM 0 HA PHE B 1 93.127 -13.885 23.766 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.393 -13.914 21.255 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.762 -13.476 22.830 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.408 -12.608 20.333 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.145 -11.294 23.745 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.294 -10.310 20.039 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.039 -8.999 23.455 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.616 -8.507 21.603 1.00 0.00 H new ATOM 866 N LEU B 2 91.088 -16.166 22.602 1.00 0.00 N ATOM 867 CA LEU B 2 90.397 -17.436 22.969 1.00 0.00 C ATOM 868 C LEU B 2 91.389 -18.601 22.952 1.00 0.00 C ATOM 869 O LEU B 2 91.358 -19.467 23.802 1.00 0.00 O ATOM 870 CB LEU B 2 89.296 -17.710 21.945 1.00 0.00 C ATOM 871 CG LEU B 2 88.247 -16.591 21.987 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.352 -16.694 20.746 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.385 -16.709 23.259 1.00 0.00 C ATOM 0 H LEU B 2 90.736 -15.713 21.758 1.00 0.00 H new ATOM 0 HA LEU B 2 89.975 -17.340 23.969 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.727 -17.778 20.946 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.824 -18.670 22.155 1.00 0.00 H new ATOM 0 HG LEU B 2 88.754 -15.626 21.999 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.604 -15.901 20.770 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.962 -16.591 19.848 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.853 -17.663 20.737 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.646 -15.908 23.273 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.876 -17.673 23.265 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.023 -16.630 24.139 1.00 0.00 H new ATOM 885 N ASP B 3 92.263 -18.629 21.986 1.00 0.00 N ATOM 886 CA ASP B 3 93.252 -19.742 21.901 1.00 0.00 C ATOM 887 C ASP B 3 94.181 -19.724 23.117 1.00 0.00 C ATOM 888 O ASP B 3 94.520 -20.754 23.662 1.00 0.00 O ATOM 889 CB ASP B 3 94.087 -19.584 20.632 1.00 0.00 C ATOM 890 CG ASP B 3 93.227 -19.884 19.399 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.477 -19.011 18.997 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.345 -20.979 18.872 1.00 0.00 O ATOM 0 H ASP B 3 92.336 -17.928 21.249 1.00 0.00 H new ATOM 0 HA ASP B 3 92.713 -20.689 21.878 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.484 -18.571 20.571 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.942 -20.259 20.663 1.00 0.00 H new ATOM 897 N GLY B 4 94.596 -18.567 23.547 1.00 0.00 N ATOM 898 CA GLY B 4 95.502 -18.498 24.730 1.00 0.00 C ATOM 899 C GLY B 4 94.723 -18.875 25.991 1.00 0.00 C ATOM 900 O GLY B 4 95.253 -19.466 26.909 1.00 0.00 O ATOM 0 H GLY B 4 94.349 -17.668 23.134 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.346 -19.174 24.595 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.912 -17.493 24.830 1.00 0.00 H new ATOM 904 N ILE B 5 93.465 -18.539 26.034 1.00 0.00 N ATOM 905 CA ILE B 5 92.632 -18.873 27.222 1.00 0.00 C ATOM 906 C ILE B 5 92.444 -20.387 27.310 1.00 0.00 C ATOM 907 O ILE B 5 92.457 -20.959 28.384 1.00 0.00 O ATOM 908 CB ILE B 5 91.276 -18.168 27.105 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.465 -16.674 27.380 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.280 -18.758 28.108 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.192 -15.920 26.991 1.00 0.00 C ATOM 0 H ILE B 5 92.974 -18.043 25.290 1.00 0.00 H new ATOM 0 HA ILE B 5 93.130 -18.532 28.130 1.00 0.00 H new ATOM 0 HB ILE B 5 90.881 -18.312 26.099 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.688 -16.513 28.435 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.314 -16.293 26.812 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.322 -18.247 28.013 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.146 -19.821 27.906 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.662 -18.627 29.120 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.325 -14.856 27.186 1.00 0.00 H new ATOM 0 HD12 ILE B 5 89.989 -16.072 25.931 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.354 -16.294 27.578 1.00 0.00 H new ATOM 923 N ASP B 6 92.251 -21.040 26.203 1.00 0.00 N ATOM 924 CA ASP B 6 92.044 -22.514 26.247 1.00 0.00 C ATOM 925 C ASP B 6 93.257 -23.180 26.875 1.00 0.00 C ATOM 926 O ASP B 6 93.140 -24.035 27.729 1.00 0.00 O ATOM 927 CB ASP B 6 91.906 -23.047 24.823 1.00 0.00 C ATOM 928 CG ASP B 6 90.571 -22.595 24.224 1.00 0.00 C ATOM 929 OD1 ASP B 6 89.599 -22.559 24.958 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.546 -22.297 23.040 1.00 0.00 O ATOM 0 H ASP B 6 92.227 -20.622 25.273 1.00 0.00 H new ATOM 0 HA ASP B 6 91.147 -22.728 26.828 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.731 -22.686 24.209 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.963 -24.135 24.826 1.00 0.00 H new ATOM 935 N LYS B 7 94.421 -22.808 26.449 1.00 0.00 N ATOM 936 CA LYS B 7 95.642 -23.432 27.011 1.00 0.00 C ATOM 937 C LYS B 7 95.826 -23.001 28.472 1.00 0.00 C ATOM 938 O LYS B 7 96.208 -23.787 29.314 1.00 0.00 O ATOM 939 CB LYS B 7 96.845 -23.003 26.169 1.00 0.00 C ATOM 940 CG LYS B 7 98.091 -23.792 26.581 1.00 0.00 C ATOM 941 CD LYS B 7 98.061 -25.210 25.989 1.00 0.00 C ATOM 942 CE LYS B 7 99.444 -25.845 26.133 1.00 0.00 C ATOM 943 NZ LYS B 7 99.802 -25.928 27.578 1.00 0.00 N ATOM 0 H LYS B 7 94.583 -22.098 25.735 1.00 0.00 H new ATOM 0 HA LYS B 7 95.551 -24.518 26.986 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.635 -23.168 25.112 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.024 -21.935 26.296 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.986 -23.270 26.241 1.00 0.00 H new ATOM 0 HG3 LYS B 7 98.148 -23.848 27.668 1.00 0.00 H new ATOM 0 HD2 LYS B 7 97.314 -25.816 26.503 1.00 0.00 H new ATOM 0 HD3 LYS B 7 97.773 -25.172 24.938 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.448 -26.840 25.688 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.186 -25.253 25.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.596 -26.589 27.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.079 -24.986 27.922 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.982 -26.267 28.120 1.00 0.00 H new ATOM 957 N ALA B 8 95.563 -21.758 28.774 1.00 0.00 N ATOM 958 CA ALA B 8 95.728 -21.275 30.177 1.00 0.00 C ATOM 959 C ALA B 8 94.661 -21.895 31.082 1.00 0.00 C ATOM 960 O ALA B 8 94.873 -22.074 32.266 1.00 0.00 O ATOM 961 CB ALA B 8 95.589 -19.752 30.212 1.00 0.00 C ATOM 0 H ALA B 8 95.241 -21.055 28.109 1.00 0.00 H new ATOM 0 HA ALA B 8 96.715 -21.568 30.535 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.709 -19.399 31.236 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.355 -19.302 29.581 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.603 -19.468 29.844 1.00 0.00 H new ATOM 967 N GLN B 9 93.509 -22.196 30.547 1.00 0.00 N ATOM 968 CA GLN B 9 92.422 -22.769 31.392 1.00 0.00 C ATOM 969 C GLN B 9 92.855 -24.112 31.989 1.00 0.00 C ATOM 970 O GLN B 9 93.490 -24.922 31.342 1.00 0.00 O ATOM 971 CB GLN B 9 91.162 -22.968 30.544 1.00 0.00 C ATOM 972 CG GLN B 9 89.999 -23.436 31.432 1.00 0.00 C ATOM 973 CD GLN B 9 90.095 -24.947 31.676 1.00 0.00 C ATOM 974 OE1 GLN B 9 90.450 -25.697 30.790 1.00 0.00 O ATOM 975 NE2 GLN B 9 89.789 -25.424 32.852 1.00 0.00 N ATOM 0 H GLN B 9 93.273 -22.070 29.563 1.00 0.00 H new ATOM 0 HA GLN B 9 92.211 -22.076 32.206 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.898 -22.035 30.046 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.352 -23.703 29.762 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.021 -22.904 32.383 1.00 0.00 H new ATOM 0 HG3 GLN B 9 89.048 -23.197 30.955 1.00 0.00 H new ATOM 0 HE21 GLN B 9 89.491 -24.793 33.596 1.00 0.00 H new ATOM 0 HE22 GLN B 9 89.848 -26.427 33.027 1.00 0.00 H new ATOM 984 N GLU B 10 92.504 -24.344 33.227 1.00 0.00 N ATOM 985 CA GLU B 10 92.872 -25.622 33.898 1.00 0.00 C ATOM 986 C GLU B 10 92.177 -25.683 35.265 1.00 0.00 C ATOM 987 O GLU B 10 91.534 -24.742 35.684 1.00 0.00 O ATOM 988 CB GLU B 10 94.392 -25.699 34.079 1.00 0.00 C ATOM 989 CG GLU B 10 94.880 -24.535 34.942 1.00 0.00 C ATOM 990 CD GLU B 10 96.409 -24.578 35.028 1.00 0.00 C ATOM 991 OE1 GLU B 10 96.941 -25.655 35.252 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.022 -23.535 34.869 1.00 0.00 O ATOM 0 H GLU B 10 91.972 -23.694 33.806 1.00 0.00 H new ATOM 0 HA GLU B 10 92.552 -26.465 33.285 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.663 -26.646 34.546 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.883 -25.671 33.106 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.554 -23.587 34.513 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.446 -24.599 35.940 1.00 0.00 H new ATOM 999 N GLU B 11 92.290 -26.783 35.957 1.00 0.00 N ATOM 1000 CA GLU B 11 91.623 -26.898 37.284 1.00 0.00 C ATOM 1001 C GLU B 11 92.098 -25.773 38.201 1.00 0.00 C ATOM 1002 O GLU B 11 93.106 -25.140 37.951 1.00 0.00 O ATOM 1003 CB GLU B 11 91.967 -28.245 37.919 1.00 0.00 C ATOM 1004 CG GLU B 11 91.389 -29.368 37.062 1.00 0.00 C ATOM 1005 CD GLU B 11 89.865 -29.357 37.172 1.00 0.00 C ATOM 1006 OE1 GLU B 11 89.370 -28.974 38.219 1.00 0.00 O ATOM 1007 OE2 GLU B 11 89.217 -29.729 36.205 1.00 0.00 O ATOM 0 H GLU B 11 92.815 -27.606 35.661 1.00 0.00 H new ATOM 0 HA GLU B 11 90.544 -26.824 37.147 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.048 -28.355 38.003 1.00 0.00 H new ATOM 0 HB3 GLU B 11 91.562 -28.298 38.930 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.691 -29.239 36.022 1.00 0.00 H new ATOM 0 HG3 GLU B 11 91.781 -30.330 37.391 1.00 0.00 H new ATOM 1014 N HIS B 12 91.370 -25.507 39.252 1.00 0.00 N ATOM 1015 CA HIS B 12 91.768 -24.409 40.175 1.00 0.00 C ATOM 1016 C HIS B 12 93.099 -24.751 40.853 1.00 0.00 C ATOM 1017 O HIS B 12 93.154 -25.057 42.027 1.00 0.00 O ATOM 1018 CB HIS B 12 90.689 -24.232 41.240 1.00 0.00 C ATOM 1019 CG HIS B 12 91.080 -23.119 42.169 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.969 -21.782 41.817 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.561 -23.130 43.453 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.367 -21.047 42.877 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.737 -21.825 43.895 1.00 0.00 N ATOM 0 H HIS B 12 90.517 -26.003 39.510 1.00 0.00 H new ATOM 0 HA HIS B 12 91.883 -23.486 39.607 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.732 -24.008 40.769 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.560 -25.159 41.799 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.645 -21.420 40.920 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.771 -24.017 44.032 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.384 -19.967 42.898 1.00 0.00 H new ATOM 1031 N GLU B 13 94.168 -24.689 40.113 1.00 0.00 N ATOM 1032 CA GLU B 13 95.508 -24.996 40.687 1.00 0.00 C ATOM 1033 C GLU B 13 96.009 -23.779 41.471 1.00 0.00 C ATOM 1034 O GLU B 13 95.428 -22.713 41.414 1.00 0.00 O ATOM 1035 CB GLU B 13 96.480 -25.314 39.546 1.00 0.00 C ATOM 1036 CG GLU B 13 97.707 -26.057 40.084 1.00 0.00 C ATOM 1037 CD GLU B 13 98.561 -26.546 38.908 1.00 0.00 C ATOM 1038 OE1 GLU B 13 98.140 -26.362 37.778 1.00 0.00 O ATOM 1039 OE2 GLU B 13 99.622 -27.098 39.159 1.00 0.00 O ATOM 0 H GLU B 13 94.172 -24.436 39.125 1.00 0.00 H new ATOM 0 HA GLU B 13 95.441 -25.854 41.356 1.00 0.00 H new ATOM 0 HB2 GLU B 13 95.980 -25.922 38.792 1.00 0.00 H new ATOM 0 HB3 GLU B 13 96.791 -24.391 39.056 1.00 0.00 H new ATOM 0 HG2 GLU B 13 98.293 -25.398 40.724 1.00 0.00 H new ATOM 0 HG3 GLU B 13 97.394 -26.902 40.697 1.00 0.00 H new ATOM 1046 N LYS B 14 97.085 -23.922 42.194 1.00 0.00 N ATOM 1047 CA LYS B 14 97.614 -22.764 42.970 1.00 0.00 C ATOM 1048 C LYS B 14 98.023 -21.663 41.989 1.00 0.00 C ATOM 1049 O LYS B 14 97.997 -20.492 42.310 1.00 0.00 O ATOM 1050 CB LYS B 14 98.832 -23.202 43.783 1.00 0.00 C ATOM 1051 CG LYS B 14 98.390 -24.179 44.872 1.00 0.00 C ATOM 1052 CD LYS B 14 99.606 -24.617 45.691 1.00 0.00 C ATOM 1053 CE LYS B 14 99.154 -25.603 46.773 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.290 -25.895 47.691 1.00 0.00 N ATOM 0 H LYS B 14 97.619 -24.786 42.281 1.00 0.00 H new ATOM 0 HA LYS B 14 96.848 -22.393 43.650 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.567 -23.674 43.132 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.315 -22.334 44.232 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.652 -23.707 45.521 1.00 0.00 H new ATOM 0 HG3 LYS B 14 97.909 -25.048 44.422 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.347 -25.084 45.043 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.083 -23.750 46.148 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.319 -25.184 47.334 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.799 -26.525 46.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.981 -26.564 48.424 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.075 -26.312 47.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.609 -25.013 48.140 1.00 0.00 H new ATOM 1068 N TYR B 15 98.389 -22.027 40.788 1.00 0.00 N ATOM 1069 CA TYR B 15 98.784 -20.992 39.789 1.00 0.00 C ATOM 1070 C TYR B 15 97.630 -19.999 39.617 1.00 0.00 C ATOM 1071 O TYR B 15 97.837 -18.851 39.280 1.00 0.00 O ATOM 1072 CB TYR B 15 99.107 -21.655 38.440 1.00 0.00 C ATOM 1073 CG TYR B 15 100.511 -22.219 38.464 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.766 -23.449 39.082 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.559 -21.505 37.864 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.069 -23.965 39.101 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.858 -22.020 37.883 1.00 0.00 C ATOM 1078 CZ TYR B 15 103.115 -23.251 38.502 1.00 0.00 C ATOM 1079 OH TYR B 15 104.398 -23.761 38.525 1.00 0.00 O ATOM 0 H TYR B 15 98.431 -22.991 40.457 1.00 0.00 H new ATOM 0 HA TYR B 15 99.672 -20.468 40.141 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.390 -22.450 38.235 1.00 0.00 H new ATOM 0 HB3 TYR B 15 99.013 -20.926 37.635 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.960 -24.000 39.544 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.362 -20.556 37.387 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.267 -24.914 39.578 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.664 -21.469 37.421 1.00 0.00 H new ATOM 0 HH TYR B 15 105.004 -23.143 38.065 1.00 0.00 H new ATOM 1089 N HIS B 16 96.415 -20.420 39.853 1.00 0.00 N ATOM 1090 CA HIS B 16 95.272 -19.476 39.704 1.00 0.00 C ATOM 1091 C HIS B 16 95.475 -18.303 40.666 1.00 0.00 C ATOM 1092 O HIS B 16 95.219 -17.166 40.329 1.00 0.00 O ATOM 1093 CB HIS B 16 93.950 -20.192 40.024 1.00 0.00 C ATOM 1094 CG HIS B 16 93.496 -20.992 38.828 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.168 -21.357 38.638 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.179 -21.482 37.745 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.097 -22.034 37.478 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.294 -22.136 36.896 1.00 0.00 N ATOM 0 H HIS B 16 96.168 -21.367 40.140 1.00 0.00 H new ATOM 0 HA HIS B 16 95.228 -19.111 38.678 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.081 -20.849 40.883 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.187 -19.462 40.295 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.241 -21.376 37.577 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.186 -22.444 37.069 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.513 -22.597 36.013 1.00 0.00 H new ATOM 1106 N SER B 17 95.935 -18.563 41.861 1.00 0.00 N ATOM 1107 CA SER B 17 96.155 -17.446 42.820 1.00 0.00 C ATOM 1108 C SER B 17 97.198 -16.482 42.244 1.00 0.00 C ATOM 1109 O SER B 17 97.067 -15.279 42.348 1.00 0.00 O ATOM 1110 CB SER B 17 96.663 -18.008 44.147 1.00 0.00 C ATOM 1111 OG SER B 17 97.947 -18.588 43.949 1.00 0.00 O ATOM 0 H SER B 17 96.166 -19.493 42.211 1.00 0.00 H new ATOM 0 HA SER B 17 95.217 -16.916 42.984 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.720 -17.215 44.893 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.968 -18.756 44.529 1.00 0.00 H new ATOM 0 HG SER B 17 97.862 -19.387 43.389 1.00 0.00 H new ATOM 1117 N ASN B 18 98.231 -17.003 41.629 1.00 0.00 N ATOM 1118 CA ASN B 18 99.283 -16.118 41.035 1.00 0.00 C ATOM 1119 C ASN B 18 98.952 -15.857 39.563 1.00 0.00 C ATOM 1120 O ASN B 18 99.459 -16.514 38.675 1.00 0.00 O ATOM 1121 CB ASN B 18 100.650 -16.801 41.141 1.00 0.00 C ATOM 1122 CG ASN B 18 101.007 -17.012 42.616 1.00 0.00 C ATOM 1123 OD1 ASN B 18 101.397 -18.094 43.008 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.896 -16.014 43.453 1.00 0.00 N ATOM 0 H ASN B 18 98.392 -18.003 41.512 1.00 0.00 H new ATOM 0 HA ASN B 18 99.312 -15.172 41.576 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.630 -17.759 40.621 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.411 -16.190 40.656 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.137 -16.143 44.436 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.569 -15.106 43.123 1.00 0.00 H new ATOM 1131 N TRP B 19 98.103 -14.904 39.304 1.00 0.00 N ATOM 1132 CA TRP B 19 97.725 -14.588 37.896 1.00 0.00 C ATOM 1133 C TRP B 19 98.910 -13.945 37.166 1.00 0.00 C ATOM 1134 O TRP B 19 99.021 -14.018 35.958 1.00 0.00 O ATOM 1135 CB TRP B 19 96.518 -13.646 37.893 1.00 0.00 C ATOM 1136 CG TRP B 19 96.900 -12.313 38.446 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.641 -11.889 39.706 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.595 -11.223 37.783 1.00 0.00 C ATOM 1139 NE1 TRP B 19 97.126 -10.600 39.851 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.725 -10.147 38.693 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.120 -11.063 36.489 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.350 -8.955 38.330 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.754 -9.867 36.123 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.867 -8.813 37.041 1.00 0.00 C ATOM 0 H TRP B 19 97.650 -14.325 40.011 1.00 0.00 H new ATOM 0 HA TRP B 19 97.459 -15.508 37.375 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.140 -13.531 36.877 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.711 -14.076 38.486 1.00 0.00 H new ATOM 0 HD1 TRP B 19 96.139 -12.462 40.472 1.00 0.00 H new ATOM 0 HE1 TRP B 19 97.050 -10.053 40.708 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.035 -11.866 35.772 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.434 -8.147 39.041 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.158 -9.757 35.127 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.353 -7.893 36.751 1.00 0.00 H new ATOM 1155 N ARG B 20 99.787 -13.306 37.891 1.00 0.00 N ATOM 1156 CA ARG B 20 100.962 -12.644 37.251 1.00 0.00 C ATOM 1157 C ARG B 20 101.814 -13.691 36.530 1.00 0.00 C ATOM 1158 O ARG B 20 102.325 -13.456 35.451 1.00 0.00 O ATOM 1159 CB ARG B 20 101.813 -11.971 38.334 1.00 0.00 C ATOM 1160 CG ARG B 20 101.052 -10.779 38.921 1.00 0.00 C ATOM 1161 CD ARG B 20 101.889 -10.121 40.024 1.00 0.00 C ATOM 1162 NE ARG B 20 102.051 -11.080 41.156 1.00 0.00 N ATOM 1163 CZ ARG B 20 102.917 -10.836 42.104 1.00 0.00 C ATOM 1164 NH1 ARG B 20 103.618 -9.735 42.081 1.00 0.00 N ATOM 1165 NH2 ARG B 20 103.074 -11.691 43.077 1.00 0.00 N ATOM 0 H ARG B 20 99.741 -13.213 38.906 1.00 0.00 H new ATOM 0 HA ARG B 20 100.612 -11.901 36.535 1.00 0.00 H new ATOM 0 HB2 ARG B 20 102.050 -12.687 39.121 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.760 -11.637 37.911 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.832 -10.054 38.137 1.00 0.00 H new ATOM 0 HG3 ARG B 20 100.096 -11.110 39.326 1.00 0.00 H new ATOM 0 HD2 ARG B 20 102.865 -9.833 39.633 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.403 -9.209 40.371 1.00 0.00 H new ATOM 0 HE ARG B 20 101.485 -11.928 41.190 1.00 0.00 H new ATOM 0 HH11 ARG B 20 103.490 -9.065 41.323 1.00 0.00 H new ATOM 0 HH12 ARG B 20 104.294 -9.545 42.821 1.00 0.00 H new ATOM 0 HH21 ARG B 20 102.521 -12.548 43.097 1.00 0.00 H new ATOM 0 HH22 ARG B 20 103.749 -11.502 43.818 1.00 0.00 H new ATOM 1179 N ALA B 21 101.979 -14.839 37.119 1.00 0.00 N ATOM 1180 CA ALA B 21 102.807 -15.898 36.473 1.00 0.00 C ATOM 1181 C ALA B 21 102.196 -16.260 35.118 1.00 0.00 C ATOM 1182 O ALA B 21 102.890 -16.417 34.133 1.00 0.00 O ATOM 1183 CB ALA B 21 102.830 -17.139 37.375 1.00 0.00 C ATOM 0 H ALA B 21 101.577 -15.093 38.021 1.00 0.00 H new ATOM 0 HA ALA B 21 103.824 -15.535 36.327 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.434 -17.917 36.908 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.259 -16.878 38.342 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.813 -17.505 37.516 1.00 0.00 H new ATOM 1189 N MET B 22 100.899 -16.385 35.061 1.00 0.00 N ATOM 1190 CA MET B 22 100.229 -16.726 33.772 1.00 0.00 C ATOM 1191 C MET B 22 100.529 -15.643 32.734 1.00 0.00 C ATOM 1192 O MET B 22 100.913 -15.920 31.615 1.00 0.00 O ATOM 1193 CB MET B 22 98.720 -16.779 34.001 1.00 0.00 C ATOM 1194 CG MET B 22 98.029 -17.363 32.769 1.00 0.00 C ATOM 1195 SD MET B 22 96.253 -17.028 32.866 1.00 0.00 S ATOM 1196 CE MET B 22 95.936 -17.923 34.404 1.00 0.00 C ATOM 0 H MET B 22 100.270 -16.265 35.855 1.00 0.00 H new ATOM 0 HA MET B 22 100.595 -17.688 33.414 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.497 -17.388 34.877 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.338 -15.778 34.203 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.445 -16.924 31.862 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.206 -18.437 32.713 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.876 -18.170 34.469 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.524 -18.840 34.419 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.216 -17.299 35.253 1.00 0.00 H new ATOM 1206 N ALA B 23 100.349 -14.407 33.101 1.00 0.00 N ATOM 1207 CA ALA B 23 100.614 -13.302 32.143 1.00 0.00 C ATOM 1208 C ALA B 23 102.086 -13.325 31.736 1.00 0.00 C ATOM 1209 O ALA B 23 102.426 -13.107 30.591 1.00 0.00 O ATOM 1210 CB ALA B 23 100.283 -11.961 32.807 1.00 0.00 C ATOM 0 H ALA B 23 100.029 -14.114 34.024 1.00 0.00 H new ATOM 0 HA ALA B 23 99.992 -13.429 31.257 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.477 -11.150 32.105 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.232 -11.948 33.096 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.904 -11.831 33.693 1.00 0.00 H new ATOM 1216 N SER B 24 102.963 -13.585 32.666 1.00 0.00 N ATOM 1217 CA SER B 24 104.414 -13.616 32.332 1.00 0.00 C ATOM 1218 C SER B 24 104.718 -14.826 31.447 1.00 0.00 C ATOM 1219 O SER B 24 105.494 -14.746 30.518 1.00 0.00 O ATOM 1220 CB SER B 24 105.230 -13.703 33.623 1.00 0.00 C ATOM 1221 OG SER B 24 106.606 -13.497 33.324 1.00 0.00 O ATOM 0 H SER B 24 102.737 -13.777 33.642 1.00 0.00 H new ATOM 0 HA SER B 24 104.680 -12.706 31.794 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.885 -12.954 34.336 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.089 -14.677 34.091 1.00 0.00 H new ATOM 0 HG SER B 24 107.132 -13.551 34.149 1.00 0.00 H new ATOM 1227 N ASP B 25 104.117 -15.948 31.728 1.00 0.00 N ATOM 1228 CA ASP B 25 104.383 -17.162 30.901 1.00 0.00 C ATOM 1229 C ASP B 25 103.975 -16.905 29.445 1.00 0.00 C ATOM 1230 O ASP B 25 104.653 -17.310 28.520 1.00 0.00 O ATOM 1231 CB ASP B 25 103.573 -18.337 31.456 1.00 0.00 C ATOM 1232 CG ASP B 25 103.838 -19.588 30.616 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.457 -19.592 29.457 1.00 0.00 O ATOM 1234 OD2 ASP B 25 104.420 -20.521 31.147 1.00 0.00 O ATOM 0 H ASP B 25 103.454 -16.079 32.492 1.00 0.00 H new ATOM 0 HA ASP B 25 105.447 -17.395 30.937 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.846 -18.521 32.495 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.510 -18.097 31.443 1.00 0.00 H new ATOM 1239 N PHE B 26 102.863 -16.245 29.236 1.00 0.00 N ATOM 1240 CA PHE B 26 102.383 -15.968 27.842 1.00 0.00 C ATOM 1241 C PHE B 26 102.623 -14.498 27.472 1.00 0.00 C ATOM 1242 O PHE B 26 102.310 -14.064 26.381 1.00 0.00 O ATOM 1243 CB PHE B 26 100.885 -16.253 27.781 1.00 0.00 C ATOM 1244 CG PHE B 26 100.654 -17.733 27.954 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.709 -18.579 26.842 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.387 -18.259 29.225 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.493 -19.952 26.997 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.172 -19.632 29.380 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.225 -20.479 28.267 1.00 0.00 C ATOM 0 H PHE B 26 102.261 -15.883 29.975 1.00 0.00 H new ATOM 0 HA PHE B 26 102.928 -16.601 27.142 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.365 -15.698 28.562 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.478 -15.918 26.827 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.918 -18.172 25.864 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.347 -17.605 30.084 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.533 -20.606 26.138 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.965 -20.039 30.359 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.059 -21.539 28.387 1.00 0.00 H new ATOM 1259 N ASN B 27 103.170 -13.732 28.371 1.00 0.00 N ATOM 1260 CA ASN B 27 103.428 -12.288 28.077 1.00 0.00 C ATOM 1261 C ASN B 27 102.141 -11.590 27.608 1.00 0.00 C ATOM 1262 O ASN B 27 102.168 -10.774 26.708 1.00 0.00 O ATOM 1263 CB ASN B 27 104.505 -12.153 26.996 1.00 0.00 C ATOM 1264 CG ASN B 27 105.808 -12.790 27.487 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.266 -12.505 28.577 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.427 -13.653 26.728 1.00 0.00 N ATOM 0 H ASN B 27 103.452 -14.040 29.301 1.00 0.00 H new ATOM 0 HA ASN B 27 103.773 -11.811 28.994 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.175 -12.638 26.077 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.669 -11.101 26.761 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.293 -14.086 27.050 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.045 -13.894 25.813 1.00 0.00 H new ATOM 1273 N LEU B 28 101.017 -11.888 28.222 1.00 0.00 N ATOM 1274 CA LEU B 28 99.727 -11.224 27.826 1.00 0.00 C ATOM 1275 C LEU B 28 99.342 -10.201 28.913 1.00 0.00 C ATOM 1276 O LEU B 28 99.425 -10.505 30.087 1.00 0.00 O ATOM 1277 CB LEU B 28 98.609 -12.273 27.749 1.00 0.00 C ATOM 1278 CG LEU B 28 98.909 -13.301 26.649 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.034 -14.540 26.864 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.614 -12.702 25.261 1.00 0.00 C ATOM 0 H LEU B 28 100.936 -12.564 28.982 1.00 0.00 H new ATOM 0 HA LEU B 28 99.854 -10.738 26.859 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.510 -12.778 28.710 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.656 -11.783 27.547 1.00 0.00 H new ATOM 0 HG LEU B 28 99.963 -13.576 26.698 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.244 -15.273 26.085 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.252 -14.975 27.839 1.00 0.00 H new ATOM 0 HD13 LEU B 28 96.983 -14.255 26.821 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.832 -13.443 24.491 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.564 -12.417 25.204 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.238 -11.822 25.104 1.00 0.00 H new ATOM 1292 N PRO B 29 98.911 -9.001 28.559 1.00 0.00 N ATOM 1293 CA PRO B 29 98.514 -7.986 29.576 1.00 0.00 C ATOM 1294 C PRO B 29 97.645 -8.608 30.687 1.00 0.00 C ATOM 1295 O PRO B 29 96.820 -9.456 30.415 1.00 0.00 O ATOM 1296 CB PRO B 29 97.693 -6.972 28.773 1.00 0.00 C ATOM 1297 CG PRO B 29 98.245 -7.036 27.387 1.00 0.00 C ATOM 1298 CD PRO B 29 98.764 -8.472 27.187 1.00 0.00 C ATOM 0 HA PRO B 29 99.377 -7.549 30.079 1.00 0.00 H new ATOM 0 HB2 PRO B 29 96.633 -7.224 28.787 1.00 0.00 H new ATOM 0 HB3 PRO B 29 97.788 -5.969 29.190 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.477 -6.796 26.652 1.00 0.00 H new ATOM 0 HG3 PRO B 29 99.049 -6.312 27.256 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.065 -9.070 26.603 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.714 -8.481 26.653 1.00 0.00 H new ATOM 1306 N PRO B 30 97.802 -8.192 31.923 1.00 0.00 N ATOM 1307 CA PRO B 30 96.986 -8.734 33.047 1.00 0.00 C ATOM 1308 C PRO B 30 95.508 -8.896 32.661 1.00 0.00 C ATOM 1309 O PRO B 30 94.751 -9.571 33.328 1.00 0.00 O ATOM 1310 CB PRO B 30 97.135 -7.667 34.141 1.00 0.00 C ATOM 1311 CG PRO B 30 98.468 -7.029 33.894 1.00 0.00 C ATOM 1312 CD PRO B 30 98.762 -7.172 32.392 1.00 0.00 C ATOM 0 HA PRO B 30 97.317 -9.727 33.352 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.331 -6.933 34.086 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.091 -8.114 35.134 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.453 -5.979 34.186 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.244 -7.514 34.487 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.623 -6.226 31.869 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.791 -7.485 32.217 1.00 0.00 H new ATOM 1320 N VAL B 31 95.090 -8.253 31.606 1.00 0.00 N ATOM 1321 CA VAL B 31 93.660 -8.338 31.200 1.00 0.00 C ATOM 1322 C VAL B 31 93.267 -9.786 30.910 1.00 0.00 C ATOM 1323 O VAL B 31 92.275 -10.274 31.411 1.00 0.00 O ATOM 1324 CB VAL B 31 93.457 -7.494 29.933 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.020 -7.629 29.419 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.750 -6.025 30.243 1.00 0.00 C ATOM 0 H VAL B 31 95.677 -7.672 31.008 1.00 0.00 H new ATOM 0 HA VAL B 31 93.035 -7.965 32.012 1.00 0.00 H new ATOM 0 HB VAL B 31 94.140 -7.853 29.163 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.896 -7.024 28.521 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.814 -8.673 29.184 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.326 -7.286 30.186 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.606 -5.427 29.343 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.073 -5.676 31.023 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.780 -5.924 30.584 1.00 0.00 H new ATOM 1336 N VAL B 32 94.021 -10.477 30.107 1.00 0.00 N ATOM 1337 CA VAL B 32 93.652 -11.885 29.802 1.00 0.00 C ATOM 1338 C VAL B 32 93.770 -12.718 31.076 1.00 0.00 C ATOM 1339 O VAL B 32 92.900 -13.501 31.402 1.00 0.00 O ATOM 1340 CB VAL B 32 94.578 -12.443 28.716 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.355 -13.956 28.570 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.270 -11.751 27.384 1.00 0.00 C ATOM 0 H VAL B 32 94.867 -10.134 29.653 1.00 0.00 H new ATOM 0 HA VAL B 32 92.626 -11.926 29.437 1.00 0.00 H new ATOM 0 HB VAL B 32 95.615 -12.258 28.995 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.016 -14.348 27.797 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.573 -14.449 29.517 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.318 -14.146 28.292 1.00 0.00 H new ATOM 0 HG21 VAL B 32 94.927 -12.145 26.609 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.232 -11.937 27.109 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.432 -10.678 27.485 1.00 0.00 H new ATOM 1352 N ALA B 33 94.842 -12.555 31.801 1.00 0.00 N ATOM 1353 CA ALA B 33 95.016 -13.336 33.056 1.00 0.00 C ATOM 1354 C ALA B 33 93.885 -13.014 34.035 1.00 0.00 C ATOM 1355 O ALA B 33 93.273 -13.898 34.597 1.00 0.00 O ATOM 1356 CB ALA B 33 96.366 -12.997 33.694 1.00 0.00 C ATOM 0 H ALA B 33 95.604 -11.915 31.578 1.00 0.00 H new ATOM 0 HA ALA B 33 94.988 -14.400 32.819 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.489 -13.571 34.612 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.169 -13.246 33.000 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.403 -11.932 33.924 1.00 0.00 H new ATOM 1362 N LYS B 34 93.605 -11.757 34.252 1.00 0.00 N ATOM 1363 CA LYS B 34 92.514 -11.395 35.200 1.00 0.00 C ATOM 1364 C LYS B 34 91.180 -11.945 34.703 1.00 0.00 C ATOM 1365 O LYS B 34 90.366 -12.411 35.474 1.00 0.00 O ATOM 1366 CB LYS B 34 92.437 -9.878 35.365 1.00 0.00 C ATOM 1367 CG LYS B 34 93.630 -9.409 36.198 1.00 0.00 C ATOM 1368 CD LYS B 34 93.551 -7.899 36.406 1.00 0.00 C ATOM 1369 CE LYS B 34 94.685 -7.462 37.333 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.768 -5.980 37.338 1.00 0.00 N ATOM 0 H LYS B 34 94.083 -10.969 33.815 1.00 0.00 H new ATOM 0 HA LYS B 34 92.733 -11.838 36.172 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.444 -9.392 34.389 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.503 -9.599 35.853 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.636 -9.919 37.162 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.561 -9.668 35.695 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.628 -7.383 35.449 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.587 -7.629 36.837 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.508 -7.832 38.343 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.630 -7.890 36.998 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 95.539 -5.678 37.968 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.955 -5.640 36.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.868 -5.583 37.677 1.00 0.00 H new ATOM 1384 N GLU B 35 90.944 -11.885 33.423 1.00 0.00 N ATOM 1385 CA GLU B 35 89.654 -12.393 32.892 1.00 0.00 C ATOM 1386 C GLU B 35 89.510 -13.890 33.217 1.00 0.00 C ATOM 1387 O GLU B 35 88.442 -14.355 33.566 1.00 0.00 O ATOM 1388 CB GLU B 35 89.610 -12.183 31.373 1.00 0.00 C ATOM 1389 CG GLU B 35 88.184 -12.418 30.850 1.00 0.00 C ATOM 1390 CD GLU B 35 87.927 -13.920 30.710 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.794 -14.604 30.191 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.865 -14.361 31.124 1.00 0.00 O ATOM 0 H GLU B 35 91.586 -11.508 32.726 1.00 0.00 H new ATOM 0 HA GLU B 35 88.831 -11.849 33.356 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.934 -11.171 31.128 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.303 -12.867 30.883 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.458 -11.977 31.534 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.054 -11.926 29.886 1.00 0.00 H new ATOM 1399 N ILE B 36 90.572 -14.651 33.110 1.00 0.00 N ATOM 1400 CA ILE B 36 90.480 -16.111 33.423 1.00 0.00 C ATOM 1401 C ILE B 36 90.171 -16.278 34.915 1.00 0.00 C ATOM 1402 O ILE B 36 89.380 -17.108 35.314 1.00 0.00 O ATOM 1403 CB ILE B 36 91.812 -16.786 33.075 1.00 0.00 C ATOM 1404 CG1 ILE B 36 91.993 -16.785 31.555 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.824 -18.231 33.586 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.447 -17.116 31.212 1.00 0.00 C ATOM 0 H ILE B 36 91.495 -14.326 32.821 1.00 0.00 H new ATOM 0 HA ILE B 36 89.686 -16.576 32.838 1.00 0.00 H new ATOM 0 HB ILE B 36 92.625 -16.236 33.549 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.325 -17.516 31.099 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.725 -15.810 31.147 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.775 -18.699 33.332 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.695 -18.235 34.668 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.010 -18.788 33.121 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.575 -17.115 30.130 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.105 -16.369 31.656 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.699 -18.101 31.606 1.00 0.00 H new ATOM 1418 N VAL B 37 90.784 -15.467 35.735 1.00 0.00 N ATOM 1419 CA VAL B 37 90.538 -15.534 37.206 1.00 0.00 C ATOM 1420 C VAL B 37 89.061 -15.200 37.464 1.00 0.00 C ATOM 1421 O VAL B 37 88.416 -15.793 38.304 1.00 0.00 O ATOM 1422 CB VAL B 37 91.447 -14.500 37.903 1.00 0.00 C ATOM 1423 CG1 VAL B 37 91.226 -14.501 39.430 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.923 -14.822 37.600 1.00 0.00 C ATOM 0 H VAL B 37 91.452 -14.753 35.446 1.00 0.00 H new ATOM 0 HA VAL B 37 90.759 -16.528 37.596 1.00 0.00 H new ATOM 0 HB VAL B 37 91.193 -13.512 37.519 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.880 -13.762 39.893 1.00 0.00 H new ATOM 0 HG12 VAL B 37 90.187 -14.252 39.647 1.00 0.00 H new ATOM 0 HG13 VAL B 37 91.454 -15.489 39.830 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.564 -14.091 38.093 1.00 0.00 H new ATOM 0 HG22 VAL B 37 93.161 -15.820 37.969 1.00 0.00 H new ATOM 0 HG23 VAL B 37 93.090 -14.784 36.524 1.00 0.00 H new ATOM 1434 N ALA B 38 88.535 -14.242 36.751 1.00 0.00 N ATOM 1435 CA ALA B 38 87.110 -13.844 36.947 1.00 0.00 C ATOM 1436 C ALA B 38 86.178 -14.955 36.461 1.00 0.00 C ATOM 1437 O ALA B 38 85.071 -15.105 36.942 1.00 0.00 O ATOM 1438 CB ALA B 38 86.827 -12.566 36.155 1.00 0.00 C ATOM 0 H ALA B 38 89.034 -13.713 36.036 1.00 0.00 H new ATOM 0 HA ALA B 38 86.934 -13.671 38.009 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.787 -12.273 36.296 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.480 -11.767 36.507 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.013 -12.746 35.096 1.00 0.00 H new ATOM 1444 N SER B 39 86.603 -15.724 35.501 1.00 0.00 N ATOM 1445 CA SER B 39 85.731 -16.810 34.974 1.00 0.00 C ATOM 1446 C SER B 39 85.685 -17.969 35.972 1.00 0.00 C ATOM 1447 O SER B 39 84.676 -18.631 36.119 1.00 0.00 O ATOM 1448 CB SER B 39 86.294 -17.291 33.640 1.00 0.00 C ATOM 1449 OG SER B 39 86.444 -16.173 32.772 1.00 0.00 O ATOM 0 H SER B 39 87.518 -15.648 35.057 1.00 0.00 H new ATOM 0 HA SER B 39 84.718 -16.434 34.830 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.255 -17.782 33.792 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.627 -18.028 33.193 1.00 0.00 H new ATOM 0 HG SER B 39 87.204 -15.629 33.067 1.00 0.00 H new ATOM 1455 N CYS B 40 86.756 -18.214 36.671 1.00 0.00 N ATOM 1456 CA CYS B 40 86.751 -19.319 37.665 1.00 0.00 C ATOM 1457 C CYS B 40 85.931 -18.875 38.879 1.00 0.00 C ATOM 1458 O CYS B 40 86.269 -17.925 39.555 1.00 0.00 O ATOM 1459 CB CYS B 40 88.191 -19.623 38.083 1.00 0.00 C ATOM 1460 SG CYS B 40 88.224 -21.066 39.176 1.00 0.00 S ATOM 0 H CYS B 40 87.633 -17.698 36.597 1.00 0.00 H new ATOM 0 HA CYS B 40 86.310 -20.219 37.236 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.803 -19.810 37.201 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.621 -18.760 38.592 1.00 0.00 H new ATOM 0 HG CYS B 40 89.420 -21.575 39.187 1.00 0.00 H new ATOM 1465 N ASP B 41 84.846 -19.546 39.150 1.00 0.00 N ATOM 1466 CA ASP B 41 83.991 -19.153 40.307 1.00 0.00 C ATOM 1467 C ASP B 41 84.796 -19.238 41.598 1.00 0.00 C ATOM 1468 O ASP B 41 84.668 -18.413 42.480 1.00 0.00 O ATOM 1469 CB ASP B 41 82.802 -20.106 40.402 1.00 0.00 C ATOM 1470 CG ASP B 41 81.817 -19.812 39.272 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.393 -18.672 39.162 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.507 -20.731 38.531 1.00 0.00 O ATOM 0 H ASP B 41 84.513 -20.351 38.620 1.00 0.00 H new ATOM 0 HA ASP B 41 83.641 -18.131 40.162 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.145 -21.139 40.339 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.308 -19.992 41.367 1.00 0.00 H new ATOM 1477 N LYS B 42 85.609 -20.247 41.724 1.00 0.00 N ATOM 1478 CA LYS B 42 86.405 -20.405 42.968 1.00 0.00 C ATOM 1479 C LYS B 42 87.347 -19.211 43.150 1.00 0.00 C ATOM 1480 O LYS B 42 87.545 -18.733 44.249 1.00 0.00 O ATOM 1481 CB LYS B 42 87.234 -21.695 42.893 1.00 0.00 C ATOM 1482 CG LYS B 42 86.304 -22.910 42.959 1.00 0.00 C ATOM 1483 CD LYS B 42 87.127 -24.199 42.890 1.00 0.00 C ATOM 1484 CE LYS B 42 86.186 -25.405 42.934 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.420 -25.390 44.211 1.00 0.00 N ATOM 0 H LYS B 42 85.756 -20.969 41.019 1.00 0.00 H new ATOM 0 HA LYS B 42 85.721 -20.455 43.816 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.810 -21.715 41.968 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.949 -21.727 43.715 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.725 -22.886 43.882 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.591 -22.879 42.135 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.718 -24.218 41.974 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.829 -24.241 43.723 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.501 -25.377 42.086 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.758 -26.329 42.851 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.398 -26.349 44.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.878 -24.742 44.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.448 -25.069 44.029 1.00 0.00 H new ATOM 1499 N CYS B 43 87.942 -18.729 42.093 1.00 0.00 N ATOM 1500 CA CYS B 43 88.882 -17.578 42.236 1.00 0.00 C ATOM 1501 C CYS B 43 88.103 -16.282 42.448 1.00 0.00 C ATOM 1502 O CYS B 43 88.511 -15.412 43.193 1.00 0.00 O ATOM 1503 CB CYS B 43 89.702 -17.407 40.961 1.00 0.00 C ATOM 1504 SG CYS B 43 90.609 -18.924 40.590 1.00 0.00 S ATOM 0 H CYS B 43 87.820 -19.078 41.143 1.00 0.00 H new ATOM 0 HA CYS B 43 89.530 -17.782 43.089 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.044 -17.156 40.129 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.400 -16.578 41.078 1.00 0.00 H new ATOM 0 HG CYS B 43 89.793 -19.808 40.096 1.00 0.00 H new ATOM 1509 N GLN B 44 87.007 -16.132 41.762 1.00 0.00 N ATOM 1510 CA GLN B 44 86.214 -14.877 41.874 1.00 0.00 C ATOM 1511 C GLN B 44 85.410 -14.877 43.176 1.00 0.00 C ATOM 1512 O GLN B 44 85.697 -14.131 44.091 1.00 0.00 O ATOM 1513 CB GLN B 44 85.269 -14.794 40.671 1.00 0.00 C ATOM 1514 CG GLN B 44 84.475 -13.490 40.709 1.00 0.00 C ATOM 1515 CD GLN B 44 83.539 -13.430 39.498 1.00 0.00 C ATOM 1516 OE1 GLN B 44 84.037 -13.185 38.313 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 82.345 -13.615 39.629 1.00 0.00 N flip ATOM 0 H GLN B 44 86.623 -16.829 41.124 1.00 0.00 H new ATOM 0 HA GLN B 44 86.880 -14.015 41.885 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.842 -14.852 39.745 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.586 -15.644 40.677 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.898 -13.429 41.632 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.154 -12.637 40.701 1.00 0.00 H new ATOM 0 HE21 GLN B 44 81.957 -13.806 40.553 1.00 0.00 H new ATOM 0 HE22 GLN B 44 81.731 -13.579 38.815 1.00 0.00 H new